1,3-Diphenethylurea

Base Information

• Chemical Name: 1,3-Diphenethylurea
• CAS No.: 5467-84-5
• Molecular Formula: C17H20N2O
• Molecular Weight: 268.359
• NSC Number: 25433
• UNII: 9J0Y1CP1F8
• DSSTox Substance ID: DTXSID00203130
• Nikkaji Number: J1.098.146H
• Wikidata: Q77376237
• Metabolomics Workbench ID: 113100
• Mol file: 5467-84-5.mol

Synonyms:1,3-diphenethylurea;1,3-diphenylethylurea

Chemical Property of 1,3-Diphenethylurea

Chemical Property:

• Vapor Pressure: 4.99E-10mmHg at 25°C
• Boiling Point: 497.3°Cat760mmHg
• Flash Point: 186.3°C
• Density: 1.085g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 268.157563266
• Heavy Atom Count: 20
• Complexity: 242

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCNC(=O)NCCC2=CC=CC=C2

Technology Process of 1,3-Diphenethylurea

There total 34 articles about 1,3-Diphenethylurea which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

carbon dioxide (124-38-9,18923-20-1) + phenethylamine (64-04-0) → 1,3-diphenethylurea (5467-84-5)

Guidance literature:

phenethylamine; With titanium tetrachloride; In dichloromethane; at 0 ℃; for 0.5h; Inert atmosphere;

With pyridine; In dichloromethane; for 0.5h; Inert atmosphere;

carbon dioxide; Further stages;

DOI:10.1039/c1ob06576a

Reference yield: 94.0%

methanol (67-56-1) + phenethylamine (64-04-0) → 1,3-diphenethylurea (5467-84-5)

Guidance literature:

With Ru-MACHO-BH; In toluene; at 140 ℃; for 24h; Autoclave; Inert atmosphere;

DOI:10.1021/acs.orglett.5b03328

Reference yield: 94.0%

trifluoromethyl trifluoromethanesulfonate (3582-05-6) + phenethylamine (64-04-0) → 1,3-diphenethylurea (5467-84-5)

Guidance literature:

In acetonitrile; at 20 ℃; for 1h; Sealed tube;

DOI:10.1002/chem.201901865

upstream raw materials:

[1,3]oxazinan-2-one

phenethylamine

5-methyl-1,3-oxazolidin-2-one

4-ethyl-2-oxazolidinone

Downstream raw materials:

1,3-diphenethylimidazolidine-2,4,5-trione

1,3-diphenethylpyrimidine-2,4,6(1H,3H,5H)-trione

5-(cyclohexylmethylene)-1,3-diphenethylpyrimidine-2,4,6(1H,3H,5H)-trione

5-(2,6-dichlorobenzylidene)-1,3-diphenethylpyrimidine-2,4,6(1H,3H,5H)-trione

Refernces

• 1、 Cao, Yanwei,Yang, Jian-Gong,Deng, Yi,Wang, Shengchun,Liu, Qi,Shen, Chaoren,Lu, Wei,Che, Chi-Ming,Chen, Yong,He, Lin. "Amine-Responsive Disassembly of AuI–CuI Double Salts for Oxidative Carbonylation". supporting information. p. 2080 - 2084. Retrieved 2019/12/24.
• 2、 Song, Hai-Xia,Han, Zhou-Zhou,Zhang, Cheng-Pan. "Concise and Additive-Free Click Reactions between Amines and CF3SO3CF3". supporting information. p. 10907 - 10912. Retrieved 2019/08/02.